Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.31 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL28152736 | 0.80 | CYP2C19 (0.52) | SMN1; SMN2CYP2C19ALDH1A1KDM4EMAPT | |
| SCHEMBL4491007 | 0.80 | SMN1; SMN2 (0.47) | SMN1; SMN2CYP2C19ALDH1A1KDM4EMAPT | |
| SCHEMBL3218984 | 0.77 | ESR1 (0.38) | ESR1ESR2HTR2ATAAR1TSHR | |
| SCHEMBL691762 | 0.73 | CYP2C19 (0.57) | SMN1; SMN2CYP2C19ALDH1A1KDM4EMAPT | |
| SCHEMBL6304003 | 0.72 | ESR1 (0.42) | CYP2C19KDM4EL3MBTL1KMT2AESR1 | |
| SCHEMBL1434405 | 0.72 | LMNA (0.46) | ESR1ESR2HTR2ATAAR1TSHR | |
| SCHEMBL6725218 | 0.72 | TAAR1 (0.52) | HTR2ATAAR1 | |
| SCHEMBL11024565 | 0.72 | CYP2C19 (0.57) | SMN1; SMN2CYP2C19ALDH1A1KDM4EMAPT | |
| SCHEMBL22897489 | 0.72 | ESR1 (0.37) | ESR1ESR2 | |
| SCHEMBL7674344 | 0.72 | CYP2C19 (0.55) | SMN1; SMN2CYP2C19ALDH1A1KDM4EMAPT |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018056854-A1 | BLOOD-BRAIN BARRIER-PENETRANT DOPAMINE-B-HYDROXYLASE INHIBITORS | BIAL - PORTELA & Cª, S.A. (PT) | 2018-03-29 | — | — | WO | disclosed |